SCHEMBL20028599

SCHEMBL20028599

Cn1cc(C(=O)NC(CO)Cc2ccccc2)c(-c2ccccc2F)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.53
▸ ROCK1 Q13464 5/20 0.53
▸ MAPK1 P28482 4/20 0.53
▸ RPS6KA5 O75582 2/20 0.53
▸ RPS6KA4 O75676 2/20 0.53
▸ PRKACA P17612 2/20 0.53
▸ GSK3B P49841 2/20 0.53
▸ PRKX P51817 2/20 0.53
▸ PRKG1 Q13976 2/20 0.53
▸ CLK4 Q9HAZ1 2/20 0.53
▸ LIMK1 P53667 1/20 0.53
▸ DGAT2 Q96PD7 1/20 0.47
▸ CTSA P10619 1/20 0.46
▸ CYP3A4 P08684 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ IRAK1 P51617 1/20 0.44
▸ PKN2 Q16513 1/20 0.44
▸ SGK2 Q9HBY8 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ BACE1 P56817 1/20 0.43

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
SCHEMBL29961323 0.84 CTSL (0.44) KMT2APOLBDCAF1MEN1
SCHEMBL21854166 0.84 CAPN1 (0.50) KMT2APOLBMEN1
SCHEMBL21410955 0.84 CTSL (0.44) KMT2APOLBDCAF1MEN1
SCHEMBL21854245 0.82 CAPN1 (0.51) DCAF1
SCHEMBL20028606 0.82 PYGL (0.43) ROCK2ROCK1MAPK1RPS6KA5RPS6KA4
SCHEMBL20027555 0.82 CAPN1 (0.51) DCAF1
SCHEMBL22885972 0.82 CTSL (0.42) CTSANPC1RAB9APOLBDCAF1
SCHEMBL22885979 0.81 PYGL (0.46) ROCK2ROCK1CTSACYP3A4KMT2A
SCHEMBL21854134 0.76 LMNA (0.44) KMT2ANPC1RAB9APOLBMEN1
SCHEMBL20027556 0.76 CAPN1 (0.48) DCAF1

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
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 — — WO disclosed
Send feedback