SCHEMBL16961894

SCHEMBL16961894

Nc1n[nH]c2ccc(Nc3ncnc4[nH]c(C5=CCN(C(=O)O)CC5)cc34)cc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 14/20 0.39
▸ CDK9 P50750 14/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ BTK Q06187 5/20 0.38

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
SCHEMBL16961658 0.92 CCNT1 (0.37) CCNT1CDK9BTK
SCHEMBL16962620 0.92 BTK (0.40) CCNT1CDK9BTK
SCHEMBL16962467 0.89 CCNT1 (0.39) CCNT1CDK9BTK
SCHEMBL16961891 0.89 CCNT1 (0.42) CCNT1CDK9
SCHEMBL13994067 0.88 CCNT1 (0.49) CCNT1CDK9JAK1BTK
SCHEMBL5004914 0.85 MKNK1 (0.52) —
SCHEMBL5005411 0.81 CCNT1 (0.43) CCNT1CDK9BTK
SCHEMBL5004818 0.81 CCNT1 (0.49) CCNT1CDK9JAK1BTK
SCHEMBL5010180 0.80 RIPK2 (0.45) —
SCHEMBL5001595 0.80 CCNT1 (0.38) CCNT1CDK9BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900671-A1 SUBSTITUTED INDAZOL-PYRROLOPYRIMIDINES USEFUL IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES Bayer Pharma Aktiengesellschaft (DE) 2015-08-05 — — EP claimed
EP-2900670-A1 SUBSTITUTED INDAZOL-PYRROLOPYRIMIDINES USEFUL IN THE TREATMENT OF HYPERFOLIFERATIVE DISORDERS Bayer Pharma Aktiengesellschaft (DE) 2015-08-05 — — EP claimed
EP-2900671-A1 SUBSTITUTED INDAZOL-PYRROLOPYRIMIDINES USEFUL IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES Bayer Pharma Aktiengesellschaft (DE) 2015-08-05 — — EP disclosed
EP-2900670-A1 SUBSTITUTED INDAZOL-PYRROLOPYRIMIDINES USEFUL IN THE TREATMENT OF HYPERFOLIFERATIVE DISORDERS Bayer Pharma Aktiengesellschaft (DE) 2015-08-05 — — EP disclosed
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