SCHEMBL18230428

SCHEMBL18230428

CC(=O)N1CCN(c2ccc(-c3nc(NC(=O)c4ccc(C(F)(F)F)cc4)sc3C(F)(F)F)nc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ USP2 O75604 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.46
▸ ITK Q08881 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CDK1 P06493 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ CDK7 P50613 1/20 0.42
▸ CCNH P51946 1/20 0.42

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
SCHEMBL18230368 0.89 TRPV4 (0.46) MAPTLRRK2SMN1; SMN2LCKHCK
SCHEMBL18230388 0.87 LRRK2 (0.61) MAPTLRRK2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL18230451 0.79 TRPV4 (0.59) MAPTMAPK1ITKALDH1A1SMN1; SMN2
SCHEMBL18230481 0.78 STAT3 (0.47) MAPTMAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL18094555 0.75 SMN1; SMN2 (0.52) MAPTLRRK2CCND3CDK6SMN1; SMN2
SCHEMBL18230378 0.75 MPL (0.49) TRPV1STAT3
SCHEMBL18094509 0.74 GPR119 (0.47) MAPTLRRK2CYP2C19SMN1; SMN2WNT3A
SCHEMBL18094571 0.74 LRRK2 (0.46) MAPTTP53MAPK1LRRK2SMN1; SMN2
SCHEMBL18230521 0.73 TRPV1 (0.59) MAPTMAPK1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL18094563 0.73 LRRK2 (0.45) MAPTTP53MAPK1LRRK2ALDH1A1

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
WO-2016183173-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions (US) 2016-11-17 — — WO disclosed
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