SCHEMBL31435577

SCHEMBL31435577

CNC1CCCc2onc(-c3cnn(C)c3)c21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
NTRK1 P04629 1/20 0.34
AXL P30530 5/20 0.33
CREBBP Q92793 2/20 0.33
JAK2 O60674 3/20 0.33
JAK1 P23458 3/20 0.33
TYK2 P29597 3/20 0.33
JAK3 P52333 3/20 0.33
MERTK Q12866 2/20 0.32
RET P07949 1/20 0.32
DHODH Q02127 3/20 0.32
USP30 Q70CQ3 1/20 0.32
TYRO3 Q06418 1/20 0.31

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
SCHEMBL31435599 0.81 PSEN1 (0.49) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL31435610 0.70 KDM1A (0.35) LRRK2NTRK1AXLCREBBP
SCHEMBL5725727 0.69 NPC1 (0.33) DHODH
SCHEMBL31435569 0.69 SMN1; SMN2 (0.38) AXLCREBBPJAK3RET
SCHEMBL31435624 0.68 RET (0.40) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL31435635 0.65 PIM1 (0.36) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL31435588 0.65 HDAC6 (0.37) LRRK2NTRK1CREBBP
SCHEMBL5725074 0.64 CHRM3 (0.45)
SCHEMBL5724839 0.64 CHRM3 (0.45)
SCHEMBL31435598 0.61 PLK1 (0.36) AXLCREBBP

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
CN-119661516-A Bicyclic heterocyclic compounds, preparation method and medical application thereof 华润医药研究院(深圳)有限公司 2025-03-21 CN disclosed