SCHEMBL7005545

SCHEMBL7005545

CC(C)(C)n1cc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 11/20 0.69
KDR P35968 9/20 0.69
LCK P06239 7/20 0.69
TEK Q02763 7/20 0.69
EGFR P00533 6/20 0.53
RET P07949 4/20 0.50
ABL1 P00519 6/20 0.48
ABL2 P42684 5/20 0.48
CDK1 P06493 1/20 0.48

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
SCHEMBL8130221 0.92 SRC (0.59) SRCKDRLCKTEKEGFR
SCHEMBL7005973 0.87 SRC (0.80) SRCKDRLCKTEKEGFR
SCHEMBL7009201 0.82 SRC (0.69) SRCKDRLCKTEKEGFR
SCHEMBL7004986 0.81 SRC (0.71) SRCKDRLCKTEKEGFR
SCHEMBL6861193 0.81 LCK (1.00) SRCKDRLCKTEKEGFR
SCHEMBL7012535 0.79 SRC (0.78) SRCKDRLCKTEKEGFR
SCHEMBL3787827 0.79 KDR (1.00) SRCKDRLCKTEKEGFR
SCHEMBL8130224 0.79 LCK (0.44) SRCKDRLCKTEKEGFR
SCHEMBL7007092 0.75 TEK (1.00) SRCKDRLCKTEKEGFR
SCHEMBL7012315 0.75 TEK (0.78) SRCKDRLCKTEKEGFR

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
EP-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP claimed
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