SCHEMBL9728923

SCHEMBL9728923

Cc1nn2c(-c3ccncc3)ccnc2c1C#N

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.80
PIM1 P11309 8/20 0.80
ACVR1 Q04771 3/20 0.80
L3MBTL1 Q9Y468 2/20 0.63
GAA P10253 2/20 0.63
LMNA P02545 1/20 0.63
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.49
HTT P42858 1/20 0.48
PIK3CG P48736 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL3165082 0.84 NTRK1 (0.76) NTRK1PIM1ACVR1L3MBTL1GAA
SCHEMBL29283642 0.82 NTRK1 (0.81) NTRK1PIM1ACVR1L3MBTL1GAA
SCHEMBL11472391 0.76 NTRK1 (0.68) NTRK1PIM1ACVR1KMT2AMEN1
SCHEMBL9728518 0.74 NTRK1 (0.70) NTRK1PIM1ACVR1L3MBTL1KMT2A
SCHEMBL31278133 0.71 NTRK1 (0.59) NTRK1PIM1ACVR1KMT2AMEN1
SCHEMBL11469306 0.71 MEN1 (0.77) NTRK1PIM1ACVR1GAAKMT2A
SCHEMBL2107212 0.71 NTRK1 (0.60) NTRK1PIM1ACVR1L3MBTL1GAA
SCHEMBL2108181 0.71 NTRK1 (0.57) NTRK1PIM1ACVR1KMT2AMEN1
SCHEMBL11346886 0.71 KDM4E (0.78) NTRK1PIM1ACVR1L3MBTL1GAA
SCHEMBL3161949 0.68 MEN1 (0.60) NTRK1PIM1ACVR1GAAKMT2A

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
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