SCHEMBL7004993

SCHEMBL7004993

CC(C)(C)n1cc(-c2cc(-c3ccccc3)cs2)c2c(N)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.58
KDR P35968 8/20 0.58
LCK P06239 7/20 0.58
TEK Q02763 6/20 0.58
EGFR P00533 4/20 0.52
RET P07949 5/20 0.51
ABL1 P00519 5/20 0.46
ABL2 P42684 3/20 0.44
CDK1 P06493 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PRKDC P78527 1/20 0.44
DAPK3 O43293 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
NTRK1 P04629 1/20 0.41
CSF1R P07333 1/20 0.41
MET P08581 1/20 0.41

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
SCHEMBL7005973 0.83 SRC (0.80) SRCKDRLCKTEKEGFR
SCHEMBL7004986 0.76 SRC (0.71) SRCKDRLCKTEKEGFR
SCHEMBL7005163 0.76 SRC (0.81) SRCKDRLCKTEKEGFR
SCHEMBL13020146 0.74 SRC (0.73) SRCKDRLCKTEKEGFR
SCHEMBL6861193 0.74 LCK (1.00) SRCKDRLCKTEKEGFR
SCHEMBL18520776 0.73 LCK (0.70) SRCKDRLCKTEKEGFR
SCHEMBL7009201 0.72 SRC (0.69) SRCKDRLCKTEKEGFR
SCHEMBL7005545 0.72 SRC (0.69) SRCKDRLCKTEKEGFR
SCHEMBL7008786 0.71 ALDH1A1 (0.37)
SCHEMBL7012535 0.71 SRC (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 4 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
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