SCHEMBL7008096

SCHEMBL7008096

COc1ccc(Oc2ccccc2-c2cn(C(C)(C)C)c(N)c2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MCL1 Q07820 1/20 0.40
LCK P06239 2/20 0.39
KDR P35968 2/20 0.39
TEK Q02763 2/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ADORA1 P30542 4/20 0.38
ADORA2A P29274 3/20 0.38
BRD4 O60885 1/20 0.36
HPGD P15428 3/20 0.36
GLA P06280 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
SCHEMBL8508548 0.83 LCK (0.53) POLBALDH1A1KDM4EMAPTNPC1
SCHEMBL6862112 0.78 LCK (0.53) POLBALDH1A1KDM4EMAPTNPC1
SCHEMBL7005305 0.71 ALDH1A1 (0.44) GAAALDH1A1KDM4ELCKKDR
SCHEMBL27336028 0.68 SRC (0.51) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL6250271 0.66 SRC (0.47) POLBGAAALDH1A1KDM4EMAPT
SCHEMBL7008781 0.66 PLA2G1B (0.40) POLBGAAALDH1A1KDM4EMAPT
SCHEMBL7009014 0.65 CA12 (0.36) POLBGAAALDH1A1KDM4EMAPT
SCHEMBL3715556 0.65 CA12 (0.50) POLBGAAALDH1A1KDM4EMAPT
SCHEMBL18159867 0.65 POLB (0.60) POLBGAAALDH1A1KDM4EMAPT
SCHEMBL22169508 0.65 POLB (1.00) POLBGAAALDH1A1MAPTNPC1

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-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP disclosed
US-6001839-A Substituted 4-amino-7H-pyrrolo [2,3,-d]-pyrimidines as PTK inhibitors BASF AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed