SCHEMBL13479762

SCHEMBL13479762

OCCCCC1CCC2CCCCC12

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ UGT2B7 P16662 1/20 0.30

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
SCHEMBL25641436 0.85 CYP1A2 (0.42) CYP1A2CYP2D6
SCHEMBL13658057 0.85 CYP1A2 (0.42) CYP1A2CYP2D6
SCHEMBL28495821 0.78 CHRNB2 (0.41) CYP1A2CYP2D6
SCHEMBL20972363 0.78 CYP1A2 (0.45) CYP1A2CYP2D6
SCHEMBL10163498 0.77 CYP1A2 (0.46) CYP1A2CYP2D6
SCHEMBL8814526 0.77 CYP1A2 (0.50) CYP1A2CYP2D6
SCHEMBL10774598 0.75 CA1 (0.36) UGT2B7
SCHEMBL18543679 0.73 CA1 (0.34) UGT2B7
SCHEMBL19884708 0.73 — —
SCHEMBL9637783 0.72 CA1 (0.45) CYP1A2CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701956-B1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-02-24 — — EP disclosed
Send feedback