SCHEMBL8076523

SCHEMBL8076523

Cc1c(C)n(Cc2ccccc2)c2ncnc(Nc3cccc(Cl)c3)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
NR2F2 P24468 1/20 0.61
POLB P06746 2/20 0.57
KDM4E B2RXH2 2/20 0.57
TSHR P16473 2/20 0.57
HTT P42858 2/20 0.57
HSD17B10 Q99714 2/20 0.57
MAPK1 P28482 1/20 0.57
SRC P12931 2/20 0.56
EGFR P00533 6/20 0.54
ABL1 P00519 3/20 0.54
ABL2 P42684 2/20 0.54
CDK1 P06493 1/20 0.53
PRKCA P17252 1/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL8084587 0.91 KMT2A (0.67) MEN1KMT2ANPC1RAB9ANR2F2
SCHEMBL8076462 0.88 KMT2A (0.63) MEN1KMT2ANPC1RAB9ANR2F2
SCHEMBL8088051 0.88 MEN1 (0.63) MEN1KMT2ANPC1RAB9ANR2F2
SCHEMBL17609367 0.83 POLB (0.67) MEN1KMT2ANPC1RAB9ANR2F2
SCHEMBL17406893 0.82 KMT2A (0.65) MEN1KMT2ANPC1RAB9ANR2F2
SCHEMBL8129590 0.80 SRC (0.58) MEN1KMT2AKDM4ETSHRHTT
SCHEMBL13064030 0.79 MAPT (0.62) SRCEGFRABL1ABL2CDK1
SCHEMBL8121867 0.79 MAPT (0.62) SRCEGFRABL1ABL2CDK1
SCHEMBL7497953 0.79 EGFR (0.54) MEN1KMT2ANPC1KDM4ETSHR
SCHEMBL8123792 0.79 SRC (0.57) MEN1KMT2AKDM4ETSHRHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096749-A ANTITUMOR, EPIDERMAL GROWTH FACTOR NOVARTIS CORPORATION (US) 2000-08-01 US disclosed
EP-0682027-B1 Pyrrolopyrimidine derivatives with antiproliferative action CIBA GEIGY AG (CH) 1997-10-15 EP disclosed
EP-0682027-A1 Pyrrolopyrimidine derivatives with antiproliferative action CIBA-GEIGY AG (CH) 1995-11-15 EP disclosed