SCHEMBL30788214

SCHEMBL30788214

CN1CCC(c2ccc(Nc3nc(-c4ccc(C(=O)NCC#N)cc4)c4cc[nH]c4n3)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 10/20 0.47
▸ JAK2 O60674 9/20 0.47
▸ JAK3 P52333 9/20 0.47
▸ PIK3CD O00329 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ CRBN Q96SW2 1/20 0.41
▸ PTK2 Q05397 1/20 0.41
▸ PAK1 Q13153 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ EGFR P00533 1/20 0.41

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
SCHEMBL27387027 1.00 JAK1 (0.47) JAK1JAK2JAK3PIK3CDCSF1R
SCHEMBL30788206 0.88 JAK2 (0.45) JAK1JAK2JAK3CRBNLRRK2
SCHEMBL27388538 0.88 JAK2 (0.45) JAK1JAK2JAK3CRBNLRRK2
SCHEMBL27387191 0.86 JAK2 (0.61) JAK1JAK2JAK3PIK3CDCSF1R
SCHEMBL30788190 0.86 JAK2 (0.61) JAK1JAK2JAK3PIK3CDCSF1R
SCHEMBL30788211 0.84 JAK2 (0.62) JAK1JAK2JAK3PIK3CDCSF1R
SCHEMBL27387132 0.84 JAK2 (0.62) JAK1JAK2JAK3PIK3CDCSF1R
SCHEMBL30788218 0.81 JAK1 (0.48) JAK1JAK2JAK3CSF1RPDPK1
SCHEMBL30788193 0.80 JAK2 (0.57) JAK1JAK2JAK3PTK2LRRK2
SCHEMBL27387022 0.80 JAK2 (0.57) JAK1JAK2JAK3PTK2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024035771-A2 ULK3 INHIBITORS AND USES THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2024-02-15 — — WO disclosed
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