SCHEMBL8646018

SCHEMBL8646018

COc1ccc2ncnc(N3CCCc4ccccc43)c2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 8/20 0.76
TUBB P07437 8/20 0.76
TUBA3C P0DPH7 8/20 0.76
TUBA1B P68363 8/20 0.76
TUBA4A P68366 8/20 0.76
TUBB4B P68371 8/20 0.76
TUBB3 Q13509 8/20 0.76
TUBB2A Q13885 8/20 0.76
TUBB8 Q3ZCM7 8/20 0.76
TUBA3E Q6PEY2 8/20 0.76
TUBA1A Q71U36 8/20 0.76
TUBA1C Q9BQE3 8/20 0.76
TUBB6 Q9BUF5 8/20 0.76
TUBB2B Q9BVA1 8/20 0.76
TUBB1 Q9H4B7 8/20 0.76
EGFR P00533 7/20 0.76
PDGFRB P09619 3/20 0.76
KDR P35968 3/20 0.76
CSF1R P07333 1/20 0.62
KDM4E B2RXH2 3/20 0.62

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
SCHEMBL16612247 0.86 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4719788 0.85 EGFR (0.87) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL6180077 0.84 EGFR (0.87) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2725484 0.82 EGFR (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4717907 0.82 EGFR (0.85) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8649255 0.81 EGFR (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9112738 0.81 EGFR (0.83) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8081981 0.80 EGFR (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8646148 0.80 EGFR (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8651006 0.79 EGFR (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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