SCHEMBL18554602

SCHEMBL18554602

NC(=O)c1[c]c(-c2ccccc2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.40
MAP2K1 Q02750 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
ADORA2A P29274 1/20 0.39
BCAT2 O15382 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
NTRK1 P04629 1/20 0.38
PIM1 P11309 1/20 0.38
ASIC3 Q9UHC3 1/20 0.37
CYP3A4 P08684 2/20 0.36
POLB P06746 1/20 0.36
PARP1 P09874 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 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
SCHEMBL4950838 0.83 PIM1 (0.40) CDC7MAP2K1CLK4DYRK1BMAPK8
SCHEMBL3177261 0.83 MAP4K4 (0.47) NTRK1PIM1PARP1MKNK1MKNK2
SCHEMBL11906973 0.78 IKBKB (0.40) CDC7CLK4DYRK1BMAPK8PIM1
SCHEMBL4946402 0.76 ERN1 (0.43) HSD17B10MKNK1MKNK2IKBKB
SCHEMBL4945696 0.73 LIPG (0.42)
SCHEMBL11907002 0.73 MKNK1 (0.41) CDC7POLBMKNK1MKNK2BTK
SCHEMBL1551487 0.72 MKNK1 (0.41) CDC7PARP1TSHRL3MBTL1MKNK1
SCHEMBL2586506 0.71 CDK8 (0.38) CDC7MAP2K1DYRK1BMAPK8PIM1
SCHEMBL3232701 0.71 SIRT3 (0.36) NTRK1PIM1MAPTTSHRTDP1
SCHEMBL11907716 0.70 MKNK1 (0.39) CDC7ADORA2APOLBMKNK1MKNK2

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-2017034872-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO claimed