SCHEMBL7513288

SCHEMBL7513288

CC(C1CCCNC1)n1cc(-c2cncc(-c3ccccc3)c2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 4/20 0.47
CCNH P51946 4/20 0.47
MNAT1 P51948 4/20 0.47
CCNT1 O60563 3/20 0.47
CDK9 P50750 3/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
PRKCZ Q05513 4/20 0.38
PRKD2 Q9BZL6 3/20 0.38
KDR P35968 5/20 0.36
FLT1 P17948 3/20 0.36
FLT4 P35916 3/20 0.36
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
CAMK2D Q13557 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
SCHEMBL7986667 0.91 CDK7 (0.44) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL7991127 0.91 CDK7 (0.46) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL7548474 0.90 CDK7 (0.42) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL7987305 0.90 CCNT1 (0.42) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL7976272 0.89 CCNT1 (0.41) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL7510914 0.89 KDR (0.51) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL7505916 0.88 CCNT1 (0.38) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL7990448 0.88 CYP11B1 (0.40) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL7977291 0.86 EGFR (0.38) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL7990707 0.86 CDK9 (0.44) CDK7CCNHMNAT1CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP claimed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP claimed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO claimed
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP disclosed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP disclosed
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO disclosed