SCHEMBL9257041

SCHEMBL9257041

Cc1nc(CCn2nc(-c3ccc(Cl)c(Cl)c3)c3cnccc32)c[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.34
P2RX7 Q99572 1/20 0.32
PTAFR P25105 1/20 0.32
EIF4E P06730 1/20 0.32
MAPK13 O15264 2/20 0.31
MAPK12 P53778 2/20 0.31
MAPK11 Q15759 2/20 0.31
MAPK14 Q16539 2/20 0.31
RAF1 P04049 1/20 0.31
MAP3K14 Q99558 1/20 0.31
MAPT P10636 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
GRM5 P41594 1/20 0.31
TEAD2 Q15562 1/20 0.31
FLT1 P17948 1/20 0.31
KDR P35968 1/20 0.31
KCNH2 Q12809 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9264217 0.90 NAMPT (0.36) NAMPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL9304159 0.86 KDM4E (0.40) NAMPTMAPTKDM4EALDH1A1HPGD
SCHEMBL9255091 0.79 NAMPT (0.33) NAMPTP2RX7MAPK13MAPK12MAPK11
SCHEMBL9303594 0.78 HRH1 (0.36) NAMPTP2RX7MAPK13MAPK12MAPK11
SCHEMBL9303543 0.76 TEAD2 (0.39) NAMPTP2RX7MAPK13MAPK12MAPK11
SCHEMBL9257046 0.75 KCNH2 (0.38) NAMPTP2RX7MAPK13MAPK12MAPK11
SCHEMBL9304621 0.75 TEAD2 (0.43) NAMPTP2RX7MAPK13MAPK12MAPK11
SCHEMBL9255098 0.73 MAPK1 (0.41) SIGMAR1KDM4EALDH1A1ALOX15HSD17B10
Maleic Acid SCHEMBL8135697 0.72 TEAD2 (0.37) NAMPTMAP3K14MAPTTEAD2KDM4E
Fumaric Acid SCHEMBL8135703 0.72 TEAD2 (0.37) NAMPTMAP3K14MAPTTEAD2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296491-A Pyrazolo[4,3-c]pyridines and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-03-22 US claimed
US-5428169-A Antidepressants, treating compulsive disorders, stuttering, trichotillomania HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-06-27 US disclosed
US-5380847-A Reaction of 1-methylpiperidine-4-hydrazine, ketone and titanium isopropoxide to form hydrazone HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1995-01-10 US disclosed
EP-0594001-A1 Pyrazolo 4,3-c pyridines, a process for their preparation and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-04-27 EP disclosed
US-5296491-A Pyrazolo[4,3-c]pyridines and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-03-22 US disclosed
US-5264576-A Antiserotonin agents, antidepressants and obsessive-compulsive disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-23 US disclosed