SCHEMBL9728834

SCHEMBL9728834

Cc1nn2c(-c3cc(Cl)ccc3Cl)ccnc2c1C(N)=O

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 0.71
PIM1 P11309 12/20 0.71
ACVR1 Q04771 3/20 0.71
CHEK1 O14757 3/20 0.53
CDK2 P24941 3/20 0.53
CSNK2A1 P68400 3/20 0.53
NPC1 O15118 2/20 0.44
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
JAK2 O60674 3/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL9728518 0.76 NTRK1 (0.70) NTRK1PIM1ACVR1CHEK1CDK2
SCHEMBL9728870 0.74 NTRK1 (0.65) NTRK1PIM1ACVR1CHEK1CDK2
SCHEMBL10474226 0.72 EGLN2 (0.42) NTRK1PIM1ACVR1NPC1L3MBTL1
SCHEMBL31277907 0.71 NTRK1 (0.65) NTRK1PIM1ACVR1CHEK1CDK2
SCHEMBL9728862 0.70 NTRK1 (0.69) NTRK1PIM1ACVR1CHEK1CDK2
SCHEMBL9868866 0.68 LMNA (0.40) NTRK1PIM1ACVR1L3MBTL1JAK2
SCHEMBL31278107 0.66 NTRK1 (0.55) NTRK1PIM1ACVR1CHEK1CDK2
SCHEMBL941347 0.66 JAK2 (0.45) JAK2
SCHEMBL9468475 0.64 KDM4E (0.81) NTRK1PIM1ACVR1CDK2NPC1
SCHEMBL15455367 0.63 GRM2 (0.47) NTRK1PIM1ACVR1CDK2CSNK2A1

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