SCHEMBL29929758

SCHEMBL29929758

Cc1nn(C)cc1Nc1ncc(F)c(-n2cc(C)c3cc(N)ccc32)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ PTK6 Q13882 2/20 0.37
▸ SYK P43405 4/20 0.37
▸ KDR P35968 2/20 0.37
▸ MAP4K1 Q92918 1/20 0.36
▸ JAK1 P23458 5/20 0.36
▸ JAK2 O60674 4/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ FLT4 P35916 1/20 0.33

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
SCHEMBL26980380 1.00 LRRK2 (0.44) LRRK2CYP1A2PTK6SYKKDR
SCHEMBL26980293 0.85 LRRK2 (0.42) LRRK2CYP1A2SYKKDRMAP4K1
SCHEMBL29929030 0.85 LRRK2 (0.42) LRRK2CYP1A2SYKKDRMAP4K1
SCHEMBL26980190 0.84 CCNT1 (0.41) LRRK2CYP1A2SYKKDRJAK1
SCHEMBL29929752 0.84 CCNT1 (0.41) LRRK2CYP1A2SYKKDRJAK1
SCHEMBL29113535 0.83 LRRK2 (0.40) LRRK2CYP1A2PTK6SYKKDR
SCHEMBL29113534 0.83 LRRK2 (0.39) LRRK2CYP1A2SYKKDRJAK1
SCHEMBL29929286 0.81 JAK3 (0.52) —
SCHEMBL26979886 0.81 JAK3 (0.52) —
SCHEMBL26980492 0.75 SYK (0.56) SYKJAK1JAK2MAPK1

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-4297873-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF THEIR USE Tyra Biosciences, Inc. (US) 2024-01-03 — — EP disclosed
WO-2022182972-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF THEIR USE TYRA BIOSCIENCES, INC. (US) 2022-09-01 — — WO disclosed
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