SCHEMBL8646148

SCHEMBL8646148

COc1cc2ncnc(N3CCCc4ccccc43)c2cc1SC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.70
CSF1R P07333 1/20 0.69
KIT P10721 2/20 0.61
RET P07949 2/20 0.57
KDR P35968 2/20 0.55
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55
PDGFRB P09619 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55
TUBB3 Q13509 1/20 0.55
TUBB2A Q13885 1/20 0.55
TUBB8 Q3ZCM7 1/20 0.55
TUBA3E Q6PEY2 1/20 0.55
TUBA1A Q71U36 1/20 0.55
TUBA1C Q9BQE3 1/20 0.55
TUBB6 Q9BUF5 1/20 0.55
TUBB2B Q9BVA1 1/20 0.55

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
SCHEMBL4719788 0.89 EGFR (0.87) EGFRCSF1RKITRETKDR
Hydrochloric Acid SCHEMBL6180077 0.88 EGFR (0.87) EGFRCSF1RKITRETKDR
SCHEMBL4717907 0.86 EGFR (0.85) EGFRCSF1RKITRETKDR
SCHEMBL9112738 0.85 EGFR (0.83) EGFRCSF1RKITRETKDR
SCHEMBL6185124 0.82 EGFR (1.00) EGFRCSF1RKITRETKDR
Hydrochloric Acid SCHEMBL6179838 0.82 EGFR (1.00) EGFRCSF1RKITRETKDR
SCHEMBL8652205 0.81 EGFR (0.60) EGFRCSF1RKITRETKDR
SCHEMBL8647346 0.80 EGFR (0.74) EGFRCSF1RKITRETKDR
SCHEMBL8646018 0.80 TUBB4A (0.76) EGFRCSF1RKITRETKDR
SCHEMBL8648516 0.77 EGFR (0.65) EGFRCSF1RKITRETKDR

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
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
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