SCHEMBL31435599

SCHEMBL31435599

CNC1CCCc2c(-c3cnn(C)c3)noc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.49
PSEN2 P49810 7/20 0.49
APH1B Q8WW43 7/20 0.49
NCSTN Q92542 7/20 0.49
APH1A Q96BI3 7/20 0.49
PSENEN Q9NZ42 7/20 0.49
RET P07949 1/20 0.37
LRRK2 Q5S007 2/20 0.34
NTRK1 P04629 1/20 0.34
CREBBP Q92793 2/20 0.34
AXL P30530 3/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
MERTK Q12866 1/20 0.32
USP30 Q70CQ3 1/20 0.32
CHRM1 P11229 1/20 0.32
TYRO3 Q06418 1/20 0.32

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
SCHEMBL31435624 0.82 RET (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31435577 0.81 LRRK2 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31435588 0.68 HDAC6 (0.37) LRRK2NTRK1CREBBP
SCHEMBL31435598 0.68 PLK1 (0.36) CREBBPAXL
SCHEMBL31435635 0.66 PIM1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31435610 0.66 KDM1A (0.35) LRRK2NTRK1CREBBPAXL
SCHEMBL21187540 0.65 RET (0.48) RETLRRK2CREBBPAXLMERTK
SCHEMBL31435569 0.61 SMN1; SMN2 (0.38) RETCREBBPAXLJAK3
SCHEMBL26773880 0.58 CREBBP (0.38) LRRK2CREBBPAXLJAK2JAK1
SCHEMBL26773882 0.58 CREBBP (0.38) LRRK2CREBBPAXLJAK2JAK1

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