SCHEMBL4440401

SCHEMBL4440401

COc1cc(COc2cc(NC(=O)c3nccnc3Cl)[nH]n2)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALPL P05186 1/20 0.35
CNR1 P21554 1/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FGFR4 P22455 1/20 0.35
POLB P06746 1/20 0.34
ENPP2 Q13822 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL4433606 0.84 MAPT (0.33) MAPTTSHR
SCHEMBL64313 0.81 NPC1 (0.53) MAPTHTTKDM4ETP53NPC1
SCHEMBL64802 0.81 NFKB1 (0.40) MAPTHTTLMNAKDM4ETP53
SCHEMBL63752 0.73 TNIK (0.40) KDM4ETP53NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL63566 0.73 TNIK (0.39) KDM4ETP53NPC1RAB9ASMN1; SMN2
SCHEMBL65041 0.73 NPC1 (0.55) MAPTTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL64247 0.72 FGFR1 (0.47) TP53RAB9A
SCHEMBL63258 0.72 FGFR1 (0.51) MAPTTSHRHTTLMNAKDM4E
SCHEMBL63320 0.72 FGFR1 (0.48) MAPTNPC1RAB9AKMT2AFLT3
SCHEMBL63691 0.71 FGFR1 (0.47) FGFR4FLT3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed