SCHEMBL8081981

SCHEMBL8081981

Nc1ccc2ncnc(N3CCCCc4ccccc43)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.55
CSF1R P07333 1/20 0.54
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
PDGFRB P09619 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
KDR P35968 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBA3E Q6PEY2 1/20 0.52
TUBA1A Q71U36 1/20 0.52
TUBA1C Q9BQE3 1/20 0.52
TUBB6 Q9BUF5 1/20 0.52
TUBB2B Q9BVA1 1/20 0.52
TUBB1 Q9H4B7 1/20 0.52
KDM4E B2RXH2 3/20 0.47

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
SCHEMBL2725484 0.83 EGFR (0.55) EGFRCSF1RTUBB4ATUBBPDGFRB
SCHEMBL8649255 0.82 EGFR (0.68) EGFRCSF1RTUBB4ATUBBPDGFRB
SCHEMBL4717907 0.80 EGFR (0.85) EGFRCSF1RTUBB4ATUBBPDGFRB
SCHEMBL8646018 0.80 TUBB4A (0.76) EGFRCSF1RTUBB4ATUBBPDGFRB
SCHEMBL9112738 0.79 EGFR (0.83) EGFRCSF1RTUBB4ATUBBPDGFRB
SCHEMBL2722449 0.78 EGFR (0.63) EGFRCSF1RTUBB4ATUBBPDGFRB
SCHEMBL4719788 0.76 EGFR (0.87) EGFRCSF1RTUBB4ATUBBPDGFRB
SCHEMBL7124185 0.76 EGFR (0.63) EGFRCSF1RTUBB4ATUBBPDGFRB
SCHEMBL8090078 0.76 EGFR (0.48) EGFRCSF1RTUBB4ATUBBPDGFRB
Hydrochloric Acid SCHEMBL6180077 0.75 EGFR (0.87) EGFRCSF1RTUBB4ATUBBPDGFRB

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-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 US claimed
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO claimed
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 US disclosed
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO disclosed