SCHEMBL8646161

SCHEMBL8646161

Cc1ccc2ncnc(N3CCc4ccc(Cl)cc43)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.48
CSF1R P07333 1/20 0.47
HTT P42858 2/20 0.46
AKT1 P31749 1/20 0.44
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CHRM4 P08173 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KDR P35968 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
PDGFRB P09619 1/20 0.39

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
SCHEMBL8651028 0.91 EGFR (0.48) EGFRCSF1RHTTAKT1HSD17B10
SCHEMBL8646399 0.87 EGFR (0.52) EGFRCSF1RHTTHSD17B10KDM4E
SCHEMBL8090078 0.87 EGFR (0.48) EGFRCSF1RHTTAKT1HTR2A
Hydrochloric Acid SCHEMBL8646103 0.86 EGFR (0.47) EGFRCSF1RHTTAKT1HTR2A
SCHEMBL8651006 0.85 EGFR (0.54) EGFRCSF1RHTTHSD17B10KDM4E
SCHEMBL8649578 0.85 EGFR (0.54) EGFRCSF1RHTTAKT1HTR2A
SCHEMBL7535430 0.85 EGFR (0.47) EGFRCSF1RHTTHSD17B10KDM4E
SCHEMBL8650186 0.84 CYP1A2 (0.52) EGFRCSF1RHTTHSD17B10HTR2A
SCHEMBL8649556 0.83 HTT (0.47) EGFRCSF1RHTTHSD17B10NPC1
SCHEMBL4352943 0.83 EGFR (0.48) EGFRCSF1RHTTAKT1HSD17B10

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
US-5736534-A HYPERPROLIFERATIVE DISEASES; INHIBITORS OF PROTEIN-TYROSINE KINASES SUCH AS EPIDERMAL GROWTH FACTOR RECEPTOR; BRAIN, LUNG, BREAST CANCER; PSORIASIS AND BENIGN PROSTATE HYPERPLASIA PFIZER INC. (US) 1998-04-07 US disclosed
CN-1141633-A 4-heterocyclic substituted quinazoline derivatives, process for their preparation and their use as anticancer agents PFIZER (US) 1997-01-29 CN disclosed
EP-0746554-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1996-12-11 EP disclosed
WO-1995023141-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1995-08-31 WO disclosed