SCHEMBL7005359

SCHEMBL7005359

CC(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 16/20 1.00
KDR P35968 14/20 1.00
LCK P06239 14/20 1.00
SRC P12931 10/20 1.00
EGFR P00533 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
RGS12 O14924 1/20 0.61
NPC1 O15118 1/20 0.61
GMNN O75496 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
FYN P06241 1/20 0.61
LYN P07948 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61

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
SCHEMBL29552512 1.00 TEK (1.00) TEKKDRLCKSRCEGFR
SCHEMBL24458340 0.90 TEK (0.82) TEKKDRLCKSRCEGFR
SCHEMBL7011622 0.89 TEK (0.81) TEKKDRLCKSRCEGFR
SCHEMBL2073160 0.89 KDR (1.00) TEKKDRLCKSRCEGFR
SCHEMBL7853816 0.88 TEK (0.79) TEKKDRLCKSRCEGFR
SCHEMBL16769997 0.88 TEK (0.78) TEKKDRLCKSRCBTK
SCHEMBL6458792 0.88 TEK (0.78) TEKKDRLCKSRCEGFR
SCHEMBL2071955 0.87 KDR (1.00) TEKKDRLCKSRCEGFR
SCHEMBL24459029 0.87 TEK (0.77) TEKKDRLCKSRCEGFR
SCHEMBL2074335 0.86 KDR (0.76) 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 6 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
WO-2022109551-A1 SRC INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2022-05-27 WO 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