SCHEMBL13012889

SCHEMBL13012889

Cc1ccnc2[nH]c(C3CC3)cc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 16/20 0.49
▸ CCNT1 O60563 15/20 0.49
▸ IKBKB O14920 3/20 0.46
▸ CHUK O15111 3/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CSF1R P07333 1/20 0.46
▸ CASP3 P42574 2/20 0.45
▸ CASP7 P55210 2/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ CDK7 P50613 1/20 0.45

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
SCHEMBL21620887 0.91 CDK9 (0.60) CDK9CCNT1CASP3CASP7CDK1
SCHEMBL21620453 0.85 CCNT1 (0.57) CDK9CCNT1
SCHEMBL30380981 0.80 CDK9 (0.52) CDK9CCNT1IKBKBCHUKCYP2C9
SCHEMBL3411433 0.80 CDK9 (0.52) CDK9CCNT1IKBKBCHUKCYP2C9
SCHEMBL1431165 0.80 IKBKB (0.46) CDK9CCNT1IKBKBCHUKCYP2C9
SCHEMBL3412546 0.80 IKBKB (0.46) CDK9CCNT1IKBKBCHUKCYP2C9
SCHEMBL13981498 0.77 CDK9 (0.50) CDK9CCNT1IKBKBCHUKCYP2C9
SCHEMBL15652643 0.76 IKBKB (0.46) CDK9CCNT1IKBKBCHUKCYP2C9
SCHEMBL855607 0.74 IKBKB (0.48) CDK9IKBKBCHUKCSF1RGSK3B
SCHEMBL3415636 0.74 CDK9 (0.50) CDK9CCNT1CSF1R

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-2069341-B1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LTD (GB) 2010-12-29 — — EP disclosed
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