SCHEMBL9728518

SCHEMBL9728518

Cc1nn2c(-c3cc(Cl)ccc3Cl)ccnc2c1C#N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.70
PIM1 P11309 8/20 0.70
ACVR1 Q04771 4/20 0.70
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
PIK3CG P48736 1/20 0.40
MAPT P10636 2/20 0.39
CHEK1 O14757 1/20 0.39
CDK2 P24941 1/20 0.39
CSNK2A1 P68400 1/20 0.39
MEN1 O00255 1/20 0.39
HSD17B10 Q99714 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9728834 0.76 NTRK1 (0.71) NTRK1PIM1ACVR1NPC1NPSR1
SCHEMBL9468475 0.75 KDM4E (0.81) NTRK1PIM1ACVR1KDM4ENPC1
SCHEMBL9728923 0.74 NTRK1 (0.80) NTRK1PIM1ACVR1KDM4ENPC1
SCHEMBL2107212 0.72 NTRK1 (0.60) NTRK1PIM1ACVR1KDM4ENPC1
SCHEMBL3165082 0.70 NTRK1 (0.76) NTRK1PIM1ACVR1KDM4ENPC1
SCHEMBL29283642 0.68 NTRK1 (0.81) NTRK1PIM1ACVR1KDM4ENPC1
SCHEMBL11472391 0.68 NTRK1 (0.68) NTRK1PIM1ACVR1KDM4ENPC1
SCHEMBL31278133 0.66 NTRK1 (0.59) NTRK1PIM1ACVR1KDM4ENPC1
SCHEMBL2108181 0.66 NTRK1 (0.57) NTRK1PIM1ACVR1KDM4EALDH1A1
SCHEMBL28329968 0.65 KDM4E (0.51) NTRK1PIM1ACVR1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169850-A Neurotropic or hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-12-08 US disclosed
US-5059691-A Anxiolytic agents; hypotensive agents; nervous system disorders; cognition activators AMERICAN CYANAMID COMPANY (US) 1991-10-22 US disclosed
US-5013737-A Hypotensive, anxiolytic, cognitive disorders AMERICAN CYANAMID COMPANY (US) 1991-05-07 US disclosed
US-4847256-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 US disclosed
EP-0264773-A1 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1988-04-27 EP disclosed