SCHEMBL29857982

SCHEMBL29857982

Cc1cccc(-c2cc(Br)cnc2N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.49
▸ FYN P06241 6/20 0.46
▸ MAP4K4 O95819 2/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ NTRK1 P04629 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ CSF1R P07333 1/20 0.46
▸ MET P08581 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ PRKACA P17612 1/20 0.46
▸ LTK P29376 1/20 0.46
▸ GRK5 P34947 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ CSNK1A1 P48729 1/20 0.46

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
SCHEMBL12516853 1.00 ADORA1 (0.49) ADORA1FYNMAP4K4CHEK1ABL1
SCHEMBL19721378 0.85 KMT2A (0.47) FYNMAP4K4KMT2ARAB9ANPC1
SCHEMBL20288103 0.85 CYP2A6 (0.57) ADORA1FYNMAP4K4CHEK1ABL1
SCHEMBL13968119 0.81 MAP4K4 (0.54) FYNMAP4K4LRRK2KMT2ARAB9A
SCHEMBL29857960 0.81 MAP4K4 (0.54) FYNMAP4K4LRRK2KMT2ARAB9A
SCHEMBL15359055 0.81 USP7 (0.60) FYNMAP4K4FGFR1KDRFLT3
SCHEMBL29857829 0.81 CHEK2 (0.53) FYNMAP4K4KMT2AHTTMEN1
SCHEMBL2226848 0.81 FYN (0.54) ADORA1FYNMAP4K4PDGFRBPIM1
SCHEMBL26917180 0.81 CHEK2 (0.53) FYNMAP4K4KMT2AHTTMEN1
SCHEMBL4582434 0.81 ADORA1 (0.49) ADORA1FYNMAP4K4CHEK1ABL1

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-4288437-A1 MAP4K1 INHIBITORS Bayer Aktiengesellschaft (DE) 2023-12-13 — — EP disclosed
WO-2022167627-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-11 — — WO disclosed
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