SCHEMBL29929752

SCHEMBL29929752

Cc1nn(C)cc1Nc1ncc(F)c(-n2cc(C)c3cc([N+](=O)[O-])ccc32)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.41
▸ CCNE2 O96020 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ LRRK2 Q5S007 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ SYK P43405 4/20 0.37
▸ KDR P35968 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ JAK2 O60674 3/20 0.35
▸ JAK1 P23458 3/20 0.35
▸ MAPK1 P28482 3/20 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
SCHEMBL26980190 1.00 CCNT1 (0.41) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL26980444 0.86 CCNT1 (0.41) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL29929725 0.86 CCNT1 (0.41) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL29929758 0.84 LRRK2 (0.44) LRRK2CYP1A2SYKKDRJAK2
SCHEMBL26980380 0.84 LRRK2 (0.44) LRRK2CYP1A2SYKKDRJAK2
SCHEMBL29929298 0.81 CDK2 (0.41) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL29929291 0.80 MAPT (0.41) ALDH1A1MAPT
SCHEMBL26977540 0.80 MAPT (0.41) ALDH1A1MAPT
SCHEMBL29113535 0.80 LRRK2 (0.40) LRRK2CYP1A2SYKKDRJAK2
SCHEMBL29929286 0.79 JAK3 (0.52) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4297873-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF THEIR USE Tyra Biosciences, Inc. (US) 2024-01-03 — — EP disclosed
CN-117136184-A Aminopyrimidine compounds and methods of use thereof 泰拉生物科学公司 2023-11-28 — — CN disclosed
WO-2022182972-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF THEIR USE TYRA BIOSCIENCES, INC. (US) 2022-09-01 — — WO disclosed
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