SCHEMBL9304792

SCHEMBL9304792

NCCCn1nc(-c2ccncc2)c2cnccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MERTK Q12866 3/20 0.39
RPS6KA5 O75582 2/20 0.38
NAMPT P43490 1/20 0.38
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37
ACHE P22303 1/20 0.37
CAMK2D Q13557 2/20 0.37
BRAF P15056 1/20 0.36
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36

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
SCHEMBL9257304 0.96 MERTK (0.44) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL9258008 0.91 NAMPT (0.39) MAPK13MAPK12MAPK11MAPK14KDM4E
Hydrochloric Acid SCHEMBL8138785 0.90 HSD17B10 (0.50) KDM4ETSHRHSD17B10MERTKMAOA
SCHEMBL9305096 0.89 KDM4E (0.38) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL8135725 0.89 LTA4H (0.39) MAPK13MAPK12MAPK11MAPK14KDM4E
Fumaric Acid SCHEMBL9258073 0.89 HSD17B10 (0.44) MAPK13MAPK12MAPK11MAPK14KDM4E
Fumaric Acid SCHEMBL9258066 0.89 HSD17B10 (0.44) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL9305227 0.88 KIF11 (0.40) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL9305127 0.85 MERTK (0.41) KDM4ETSHRHSD17B10MERTKRPS6KA5
SCHEMBL9303543 0.85 TEAD2 (0.39) MAPK13MAPK12MAPK11MAPK14KDM4E

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 1 patent. 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