SCHEMBL8317417

SCHEMBL8317417

Cc1c(C=O)c2cnnc(OCc3ccc(F)cc3)c2n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
CYP3A4 P08684 4/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP2D6 P10635 2/20 0.52
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.36
DYRK1A Q13627 1/20 0.36
ENPP2 Q13822 1/20 0.36

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
SCHEMBL8314346 0.94 LMNA (0.51) LMNACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL8940618 0.89 LMNA (0.44) LMNACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL9739298 0.88 CYP3A4 (0.54) LMNACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL9738512 0.87 CYP3A4 (0.67) LMNACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL8317759 0.85 CYP3A4 (0.54) LMNACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL4590906 0.83 CYP3A4 (0.52) LMNACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5239455 0.82 CYP1A2 (0.78) LMNACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5282887 0.82 CYP1A2 (0.78) LMNACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5239447 0.82 CYP1A2 (0.78) LMNACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL8313031 0.81 CYP1A2 (0.49) LMNACYP3A4CYP1A2CYP2C9CYP2C19

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-0609328-B1 PYRROLO-PYRIDAZINES WITH GASTRO-INTESTINAL PROTECTIVE ACTION BYK GULDEN LOMBERG CHEM FAB (DE) 1999-04-28 EP disclosed
US-5534515-A Pyrrolopyridazines having gastrointestinal protective effects BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-07-09 US disclosed
WO-1993008190-A1 PYRROLO-PYRIDAZINES WITH GASTRO-INTESTINAL PROTECTIVE ACTION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-04-29 WO disclosed