SCHEMBL7009724

SCHEMBL7009724

CC(C)(C)n1cc(-c2ccc(Oc3ccccc3)c(O)c2)c2c(N)ncnc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.74
TEK Q02763 15/20 0.74
KDR P35968 14/20 0.74
SRC P12931 10/20 0.74
EGFR P00533 4/20 0.48
ABL1 P00519 2/20 0.47
CDK1 P06493 1/20 0.47
ABL2 P42684 1/20 0.47
MTOR P42345 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
RGS12 O14924 1/20 0.46
NPC1 O15118 1/20 0.46
GMNN O75496 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
FYN P06241 1/20 0.46
LYN P07948 1/20 0.46

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
SCHEMBL7010666 0.92 LCK (0.65) LCKTEKKDRSRCEGFR
SCHEMBL7007563 0.90 KDR (0.62) LCKTEKKDRSRCEGFR
SCHEMBL7012948 0.89 LCK (0.75) LCKTEKKDRSRCEGFR
SCHEMBL7006212 0.88 KDR (0.74) LCKTEKKDRSRCEGFR
SCHEMBL7012650 0.88 LCK (0.74) LCKTEKKDRSRCEGFR
SCHEMBL7010707 0.88 TEK (0.77) LCKTEKKDRSRCEGFR
SCHEMBL7010640 0.87 LCK (0.70) LCKTEKKDRSRCEGFR
SCHEMBL6861193 0.85 LCK (1.00) LCKTEKKDRSRCEGFR
SCHEMBL8145098 0.85 KDR (0.61) LCKTEKKDRSRCEGFR
SCHEMBL7005163 0.84 SRC (0.81) LCKTEKKDRSRCEGFR

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