SCHEMBL7945228

SCHEMBL7945228

CCc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.48
EGFR P00533 8/20 0.47
BRAF P15056 8/20 0.47
KIT P10721 5/20 0.46
PDGFRB P09619 1/20 0.45
BCR P11274 1/20 0.45

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
SCHEMBL7953516 0.88 SMN1; SMN2 (0.44) ABL1EGFRBRAFKITPDGFRB
SCHEMBL7945192 0.87 HTR2A (0.42) BRAFKIT
SCHEMBL7951869 0.86 EGFR (0.44) ABL1EGFRBRAFBCR
SCHEMBL7945155 0.86 BRAF (0.51) BRAFKIT
Hydrochloric Acid SCHEMBL8130753 0.86 HTR2A (0.42) BRAFKIT
SCHEMBL7958537 0.85 MAPT (0.45) ABL1PDGFRBBCR
Hydrochloric Acid SCHEMBL8140883 0.85 MAPT (0.44) ABL1PDGFRBBCR
SCHEMBL7955614 0.84 BRAF (0.44) BRAF
Hydrochloric Acid SCHEMBL6293727 0.84 KIT (0.53) ABL1EGFRBRAFKIT
SCHEMBL7953316 0.83 PDGFRB (0.47) PDGFRB

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-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 US claimed
US-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 US disclosed
EP-0986559-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-03-22 EP disclosed
WO-1998054184-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-12-03 WO disclosed