SCHEMBL7006035

SCHEMBL7006035

COc1cc(-c2cn(C3CCCC3)c3ncnc(Cl)c23)ccc1NC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.49
TEK Q02763 7/20 0.49
LCK P06239 6/20 0.49
KDR P35968 6/20 0.48
EGFR P00533 9/20 0.47
ABL1 P00519 6/20 0.47
ABL2 P42684 6/20 0.47
ERBB2 P04626 2/20 0.46
ERBB3 P21860 2/20 0.46
ERBB4 Q15303 2/20 0.46
RIPK2 O43353 1/20 0.45
DHODH Q02127 1/20 0.45
RET P07949 4/20 0.44
KIF5B P33176 3/20 0.44
KCNH2 Q12809 1/20 0.44
CCDC6 Q16204 1/20 0.44
LYN P07948 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
RGS12 O14924 1/20 0.44

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
SCHEMBL2074968 0.91 SRC (0.48) SRCTEKLCKKDREGFR
SCHEMBL7005371 0.90 TEK (0.61) SRCTEKLCKKDREGFR
SCHEMBL2074527 0.85 ABL1 (0.50) SRCTEKLCKKDREGFR
SCHEMBL6867277 0.83 EIF2AK3 (0.47) SRCTEKLCKKDRRIPK2
SCHEMBL7855168 0.83 SRC (0.57) SRCTEKLCKKDREGFR
SCHEMBL6861029 0.83 LCK (0.59) SRCTEKLCKKDREGFR
SCHEMBL6465409 0.80 LCK (0.74) SRCTEKLCKKDREGFR
SCHEMBL6465401 0.80 LCK (0.74) SRCTEKLCKKDREGFR
SCHEMBL7006750 0.80 SRC (0.61) SRCTEKLCKKDREGFR
SCHEMBL6871561 0.80 RET (0.44) SRCTEKKDREGFRABL1

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