SCHEMBL20080867

SCHEMBL20080867

Cn1c(Nc2nc3ccc(C(F)(F)F)cc3s2)nc2cc(C(N)=O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.53
CSNK1D P48730 10/20 0.48
LRRK2 Q5S007 1/20 0.47
CYP2D6 P10635 1/20 0.46
ACP1 P24666 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
STING1 Q86WV6 1/20 0.44

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
SCHEMBL2248589 0.91 DYRK1A (0.54) DYRK1ACSNK1DLRRK2CYP2D6ACP1
SCHEMBL2245973 0.90 DYRK1A (0.53) DYRK1ACSNK1DLRRK2CYP2D6ACP1
SCHEMBL2248925 0.89 SMN1; SMN2 (0.54) DYRK1ACSNK1DLRRK2CYP2D6ACP1
SCHEMBL2245427 0.88 DYRK1A (0.47) DYRK1ACSNK1DLRRK2CYP2D6ACP1
SCHEMBL2245920 0.87 DYRK1A (0.49) DYRK1ACSNK1DLRRK2CYP2D6ACP1
SCHEMBL21066946 0.87 DYRK1A (0.49) DYRK1ACSNK1DLRRK2CYP2D6ACP1
SCHEMBL2246691 0.87 DYRK1A (0.49) DYRK1ACSNK1DLRRK2CYP2D6ACP1
SCHEMBL2252658 0.86 DYRK1A (0.45) DYRK1ACSNK1DLRRK2CYP2D6ACP1
SCHEMBL20080823 0.86 DYRK1A (0.55) DYRK1ACSNK1DACP1KDM4ENPC1
SCHEMBL2250749 0.85 DYRK1A (0.44) DYRK1ACSNK1DLRRK2CYP2D6ACP1

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-2536285-B1 SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2018-04-25 EP disclosed