SCHEMBL7268653

SCHEMBL7268653

CC(c1cnccn1)C(O)(Cn1cncn1)c1ccc(F)cc1F

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 18/20 0.71
CYP2C9 P11712 12/20 0.71
CYP2C19 P33261 12/20 0.71
LMNA P02545 2/20 0.71
CYP2B6 P20813 1/20 0.71
CYP3A5 P20815 1/20 0.71
CYP3A7 P24462 1/20 0.71
MAPK1 P28482 1/20 0.71
CYP3A43 Q9HB55 1/20 0.71
CYP46A1 Q9Y6A2 1/20 0.71
CYP1A2 P05177 6/20 0.59
CYP2D6 P10635 6/20 0.59
KCNH2 Q12809 3/20 0.59
HSP90AA1 P07900 1/20 0.57
CYP19A1 P11511 1/20 0.57
CYP11B1 P15538 1/20 0.57
CYP11B2 P19099 1/20 0.57
ADRA1A P35348 1/20 0.57
CYP51A1 Q16850 1/20 0.57

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
SCHEMBL7260480 0.88 CYP3A4 (0.68) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL7269046 0.88 CYP3A4 (0.68) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL7276187 0.87 CYP3A4 (0.72) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL30410184 0.87 CYP3A4 (0.72) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL6958718 0.87 CYP3A4 (0.72) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL29445565 0.87 CYP3A4 (0.72) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL4946439 0.87 CYP3A4 (0.72) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL8666761 0.85 CYP3A4 (0.72) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL8664842 0.85 CYP3A4 (0.72) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL7267960 0.85 CYP3A4 (0.71) CYP3A4CYP2C9CYP2C19LMNACYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5364938-A Triazole antifungal agents PFIZER INC. (US) 1994-11-15 US disclosed
EP-0357241-B1 Triazole antifungal agents PFIZER LTD (GB) 1994-02-16 EP disclosed
US-5206364-A Triazole antifungal agents PFIZER INC. (US) 1993-04-27 US disclosed
US-5116844-A TRIAZOLE ANTIFUNGAL AGENTS PFIZER INC. (US) 1992-05-26 US disclosed
EP-0357241-A1 Triazole antifungal agents Pfizer Limited (GB) 1990-03-07 EP disclosed