SCHEMBL8647403

SCHEMBL8647403

COc1cc2ncnc(N3c4ccccc4CC3C)c2cc1OC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.61
CSF1R P07333 1/20 0.60
ACHE P22303 6/20 0.53
BACE1 P56817 6/20 0.53
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
PKM P14618 1/20 0.51
CLK1 P49759 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KIT P10721 3/20 0.51
HTR7 P34969 3/20 0.51
HTR1A P08908 2/20 0.51
PDE10A Q9Y233 3/20 0.49
RET P07949 1/20 0.49
KIF5B P33176 1/20 0.49
KDR P35968 1/20 0.49
PDE3A Q14432 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 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
SCHEMBL4718427 0.89 EGFR (0.65) EGFRCSF1RACHEBACE1KIT
Hydrochloric Acid SCHEMBL6181670 0.88 EGFR (0.66) EGFRCSF1RACHEBACE1KIT
SCHEMBL27477800 0.87 EGFR (0.60) EGFRCSF1RACHEBACE1KIT
SCHEMBL9113385 0.84 EGFR (0.57) EGFRCSF1RACHEBACE1KIT
SCHEMBL8650896 0.83 EGFR (0.55) EGFRCSF1RACHEBACE1KIT
SCHEMBL8647902 0.83 EGFR (0.55) EGFRCSF1RACHEBACE1KIT
Lithium SCHEMBL8650904 0.83 EGFR (0.55) EGFRCSF1RACHEBACE1KIT
Lithium Ion SCHEMBL8650898 0.83 EGFR (0.55) EGFRCSF1RACHEBACE1KIT
SCHEMBL8648604 0.78 EGFR (0.54) EGFRCSF1RACHEBACE1KIT
SCHEMBL8648609 0.78 EGFR (0.54) EGFRCSF1RACHEBACE1KIT

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-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
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