SCHEMBL16331319

SCHEMBL16331319

CNc1nc2cnc(Nc3ccccc3)cc2n1Cc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 3/20 0.47
▸ USP2 O75604 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ CASP7 P55210 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ BRCA1 P38398 1/20 0.40
▸ HBB P68871 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ GABRG2 P18507 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
SCHEMBL16332211 0.91 GRIN1 (0.43) FYNUSP2LMNACYP3A4CYP2C9
SCHEMBL16332390 0.90 GRIN1 (0.43) FYNCYP3A4TSHRCYP1A2MAPK1
SCHEMBL16332487 0.88 CYP3A4 (0.51) USP2LMNACYP3A4CYP2C9TSHR
SCHEMBL16332608 0.87 KIF11 (0.46) LMNATP53MAPT
SCHEMBL16332185 0.86 PTK2 (0.52) LMNAMEN1KMT2AALDH1A1
SCHEMBL16332371 0.84 RHOA (0.45) FYNTSHRTP53MAPK1BRD4
SCHEMBL16331460 0.83 MAPT (0.47) FYNMEN1TP53MAPK1KMT2A
SCHEMBL16332496 0.82 GABRG2 (0.47) FYNUSP2LMNACYP3A4CYP2C9
SCHEMBL16331650 0.82 PIK3CA (0.44) FYNLMNACYP2C9MEN1TP53
SCHEMBL16332134 0.82 SMN1; SMN2 (0.52) USP2LMNACYP3A4CYP2C9TSHR

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
Send feedback