SCHEMBL7010670

SCHEMBL7010670

CC(C)n1cc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)c2c(Cl)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.47
TEK Q02763 7/20 0.47
LCK P06239 5/20 0.47
SRC P12931 2/20 0.47
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KIT P10721 1/20 0.41
PGR P06401 1/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CASP1 P29466 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL7006094 0.88 KDR (0.64) KDRTEKLCKSRCKIT
SCHEMBL7009436 0.76 KDR (0.55) KDRTEKLCKSRCCA12
SCHEMBL2072353 0.75 KDR (0.46) KDRTEKLCKSRCCA12
SCHEMBL2075050 0.74 KDR (0.56) KDRTEKLCKSRCMAPT
SCHEMBL7012790 0.73 KDR (0.51) KDRTEKLCKSRCCA12
SCHEMBL12934128 0.73 KDR (0.56) KDRTEKLCKSRCFLT3
SCHEMBL2073947 0.71 TEK (0.53) KDRTEKLCKSRCKDM4E
SCHEMBL7060611 0.70 SRC (0.49) SRCCA12CA1CA2CA9
SCHEMBL7058330 0.70 PIK3CD (0.55) KDRTEKLCKSRC
SCHEMBL2074534 0.69 TEK (0.64) KDRTEKLCKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1134439-C Pyrrolo [2,3D ] pyrimidines and their use as tyrosine kinase inhibitors 艾博特股份有限两合公司 2004-01-14 CN disclosed
EP-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP disclosed
EP-0970084-A1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 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
WO-1998041525-A1 PYRROLO[2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed