SCHEMBL7004302

SCHEMBL7004302

CC(C)(C)n1cc(-c2ccc(Oc3ccccc3C(N)=O)cc2)c2c(N)ncnc21

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TEK Q02763 16/20 0.71
KDR P35968 16/20 0.71
LCK P06239 15/20 0.71
SRC P12931 7/20 0.71
EGFR P00533 2/20 0.48
ABL1 P00519 1/20 0.48
ABL2 P42684 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
SCHEMBL7010640 0.90 LCK (0.70) TEKKDRLCKSRCEGFR
SCHEMBL7005538 0.88 KDR (0.65) TEKKDRLCKSRCEGFR
SCHEMBL7013820 0.87 KDR (0.78) TEKKDRLCKSRCEGFR
SCHEMBL7010707 0.86 TEK (0.77) TEKKDRLCKSRCEGFR
SCHEMBL7012315 0.85 TEK (0.78) TEKKDRLCKSRCEGFR
SCHEMBL7005453 0.84 TEK (0.77) TEKKDRLCKSRCEGFR
SCHEMBL6861193 0.83 LCK (1.00) TEKKDRLCKSRCEGFR
SCHEMBL7007578 0.82 KDR (0.59) TEKKDRLCKSRCEGFR
SCHEMBL7009429 0.82 LCK (0.75) TEKKDRLCKSRCEGFR
SCHEMBL6464152 0.81 LCK (0.78) TEKKDRLCKSRCEGFR

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