SCHEMBL7195040

SCHEMBL7195040

Cc1ccc2c(c1)c(C1=C(Br)C(=O)N(C)C1=O)cn2C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
GSK3B P49841 4/20 0.39
CCNE2 O96020 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
PRKCA P17252 1/20 0.37
KDR P35968 1/20 0.36

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
SCHEMBL29383914 0.81 CCNT1 (0.61) CCNT1CDK9GSK3BCCNE2CDK4
SCHEMBL6581547 0.81 CCNT1 (0.61) CCNT1CDK9GSK3BCCNE2CDK4
SCHEMBL7194243 0.78 CCNT1 (0.53) CCNT1CDK9CCNE2CDK4CCND1
SCHEMBL7193750 0.74 SIRT2 (0.54)
SCHEMBL7498549 0.72 PRKCA (0.64) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL7197086 0.71 GSK3B (0.51) CCNT1CDK9GSK3BPRKCAKDR
SCHEMBL8161731 0.71 CCNE2 (0.78) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL21919935 0.70 ALDH1A1 (0.39)
SCHEMBL7195024 0.69 CCNT1 (0.76) CCNT1CDK9GSK3BCCNE2CDK4
SCHEMBL7498380 0.69 GSK3B (0.65) GSK3BCCNE2CDK4CCND1CCNE1

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-6589977-B1 Bisindolylpyrrole derivatives represented by general formula (I) which are useful in inhibiting cell death and expected as being useful as preventives and remedies for the progress of various diseases in the progress and worsening of which cell SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-07-08 US disclosed
EP-1152002-A1 PYRROLE DERIVATIVES AND CELL DEATH INHIBITORS SAGAMI CHEMICAL RESEARCH CENTER (JP) 2001-11-07 EP disclosed