SCHEMBL20217147

SCHEMBL20217147

CC(=N)c1cc(C(=O)NC(CC2CC2)c2ccccc2Cl)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSA P10619 10/20 0.40
KCNK3 O14649 3/20 0.39
KMT2A Q03164 1/20 0.38
F10 P00742 2/20 0.37
JAK2 O60674 2/20 0.37
P2RX7 Q99572 1/20 0.37
PRSS1 P07477 1/20 0.36
ROCK2 O75116 1/20 0.35

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
SCHEMBL20217320 0.87 KCNK3 (0.44) CTSAKCNK3
SCHEMBL20217148 0.85 GRN (0.43) CTSAROCK2
SCHEMBL20217174 0.85 GRN (0.43) CTSAROCK2
SCHEMBL20217493 0.82 CTSA (0.39) CTSA
SCHEMBL20217242 0.81 AKT1 (0.41) KMT2AF10ROCK2
SCHEMBL20217886 0.78 F10 (0.38) CTSAKCNK3F10JAK2PRSS1
SCHEMBL20217243 0.73 KDM4E (0.51)
SCHEMBL20217347 0.72 ALDH1A1 (0.47) ROCK2
SCHEMBL20217138 0.72 ROCK1 (0.52) ROCK2
SCHEMBL20217342 0.72 APLNR (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed