SCHEMBL16332608

SCHEMBL16332608

CNc1nc2cnc(Nc3cccc(C(F)(F)F)c3)cc2n1Cc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.46
▸ GRIN1 Q05586 3/20 0.45
▸ GRIN2B Q13224 3/20 0.45
▸ EGFR P00533 1/20 0.43
▸ IDH2 P48735 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ AURKA O14965 3/20 0.43
▸ CTSC P53634 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ UBE2M P61081 1/20 0.40
▸ DCUN1D1 Q96GG9 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ P2RX3 P56373 1/20 0.40

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
SCHEMBL16332390 0.87 GRIN1 (0.43) GRIN1GRIN2BEGFRGAAPRKDC
SCHEMBL16331319 0.87 FYN (0.47) MAPTLMNATP53
SCHEMBL16332487 0.85 CYP3A4 (0.51) EGFRPRKDCKDM4ELMNATP53
SCHEMBL16332211 0.84 GRIN1 (0.43) GRIN1GRIN2BLMNA
SCHEMBL16332371 0.80 RHOA (0.45) GAAMAPTKDM4EPOLBTP53
SCHEMBL16332185 0.79 PTK2 (0.52) EGFRGAALMNA
SCHEMBL16570938 0.79 KIF11 (0.50) KIF11GRIN1GRIN2BGAAAURKA
SCHEMBL16331460 0.77 MAPT (0.47) EGFRGAAPRKDCMAPTKDM4E
SCHEMBL16332779 0.74 GRIN1 (0.44) GRIN1GRIN2BEGFR
SCHEMBL16331626 0.73 GABRG2 (0.52) PRKDCLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2818472-A1 Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 — — EP claimed
EP-2818472-A1 Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 — — EP disclosed
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