SCHEMBL20025760

SCHEMBL20025760

CN(C)C1CCN([S+]([O-])c2ccc(-n3ncc4c(-c5ccc(C6CCNCC6)cc5)cccc43)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 4/20 0.33
▸ BMPR1B O00238 2/20 0.33
▸ BMPR1A P36894 2/20 0.33
▸ ACVR1B P36896 2/20 0.33
▸ ACVRL1 P37023 2/20 0.33
▸ RET P07949 1/20 0.33
▸ CYP17A1 P05093 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ KHK P50053 2/20 0.32
▸ JAK2 O60674 2/20 0.30
▸ JAK3 P52333 2/20 0.30
▸ PTK2 Q05397 2/20 0.30
▸ TGFBR1 P36897 1/20 0.30

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
SCHEMBL31745021 0.84 CCR1 (0.38) ACVR1JAK3PTK2
SCHEMBL20598022 0.84 CCR1 (0.38) ACVR1JAK3PTK2
SCHEMBL19092140 0.79 CYP17A1 (0.33) CYP17A1CYP1A2
SCHEMBL19092433 0.78 KHK (0.46) ACVR1BMPR1BBMPR1AACVR1BACVRL1
SCHEMBL20598011 0.69 GPR119 (0.45) RETJAK2JAK3PTK2
SCHEMBL26026399 0.62 SCN9A (0.33) CYP17A1CYP1A2
SCHEMBL19092141 0.61 HTR2A (0.41) —
SCHEMBL20598131 0.60 USP5 (0.44) —
SCHEMBL30716966 0.59 CYP1A2 (0.61) CYP17A1CYP1A2
SCHEMBL26970884 0.59 CYP1A2 (0.61) CYP17A1CYP1A2

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-4219689-A2 IMMUNE EFFECTOR CELL THERAPIES WITH ENHANCED EFFICACY Novartis AG (CH) 2023-08-02 — — EP disclosed
WO-2018059549-A1 IMMUNE EFFECTOR CELL THERAPIES WITH ENHANCED EFFICACY NOVARTIS AG (CH) 2018-04-05 — — WO disclosed
Send feedback