SCHEMBL6606448

SCHEMBL6606448

COc1ncc(C(C#N)=Cc2ccncc2)cc1OC1Cc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
HIF1A Q16665 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
KDM4E B2RXH2 4/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NOX1 Q9Y5S8 1/20 0.41
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38

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
SCHEMBL6606444 1.00 EGFR (0.44) EGFRSMN1; SMN2RECQLHIF1APDGFRB
SCHEMBL6607901 0.90 SMN1; SMN2 (0.46) EGFRSMN1; SMN2RECQLHIF1APDGFRB
SCHEMBL6607907 0.90 SMN1; SMN2 (0.46) EGFRSMN1; SMN2RECQLHIF1APDGFRB
SCHEMBL6611008 0.89 SMN1; SMN2 (0.38) EGFRSMN1; SMN2RECQLHIF1APDGFRB
SCHEMBL6607249 0.87 PDE4A (0.40) EGFRSMN1; SMN2RECQLHIF1APDGFRB
SCHEMBL6607238 0.87 PDE4A (0.40) EGFRSMN1; SMN2RECQLHIF1APDGFRB
SCHEMBL6607093 0.87 SMN1; SMN2 (0.43) EGFRSMN1; SMN2RECQLHIF1APDGFRB
SCHEMBL6607099 0.87 SMN1; SMN2 (0.43) EGFRSMN1; SMN2RECQLHIF1APDGFRB
SCHEMBL6609196 0.87 MAPT (0.43) EGFRSMN1; SMN2RECQLHIF1APDGFRB
SCHEMBL6609189 0.87 MAPT (0.43) EGFRSMN1; SMN2RECQLHIF1APDGFRB

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
EP-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
US-5935977-A PHOSPHODIESTERASE IV INHIBITORS, TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORS; TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed