SCHEMBL25227902

SCHEMBL25227902

CSc1ncc2cc(Br)c(N[C@@H](C)CO)nc2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 4/20 0.39
▸ KDR P35968 4/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ CDK4 P11802 2/20 0.39
▸ CDK7 P50613 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCNH P51946 1/20 0.39
▸ CCNB1 P14635 2/20 0.39
▸ CCNE1 P24864 2/20 0.39
▸ AKT1 P31749 4/20 0.36
▸ AKT2 P31751 4/20 0.36
▸ CXCR2 P25025 11/20 0.35
▸ CCR7 P32248 4/20 0.34
▸ CX3CR1 P49238 1/20 0.34

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
SCHEMBL29536592 1.00 CDK1 (0.39) CDK1KDRCA2CDK2CDK4
SCHEMBL25227955 1.00 CDK1 (0.39) CDK1KDRCA2CDK2CDK4
SCHEMBL25271264 0.80 AKT1 (0.34) AKT1AKT2
SCHEMBL29537498 0.80 AKT1 (0.34) AKT1AKT2
SCHEMBL25227024 0.80 AKT1 (0.39) CDK2AKT1AKT2
SCHEMBL29536669 0.80 AKT1 (0.39) CDK2AKT1AKT2
SCHEMBL25271560 0.79 AKT1 (0.39) CDK1KDRCDK2AKT1AKT2
SCHEMBL29536658 0.79 AKT1 (0.39) CDK1KDRCDK2AKT1AKT2
SCHEMBL31344333 0.77 HASPIN (0.36) AKT1AKT2
SCHEMBL25222377 0.77 AKT1 (0.34) AKT1AKT2

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
EP-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 — — EP disclosed
WO-2022032071-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORPORATION (US) 2022-02-10 — — WO disclosed
Send feedback