SCHEMBL30533988

SCHEMBL30533988

CC(=O)OCCn1c([C@H]2CCC[C@@H](N)C2)nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 2/20 0.45
▸ KMT2A Q03164 5/20 0.41
▸ JAK2 O60674 4/20 0.41
▸ JAK1 P23458 4/20 0.41
▸ TYK2 P29597 4/20 0.41
▸ JAK3 P52333 4/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ PKM P14618 2/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ ITK Q08881 1/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL25218469 1.00 HRH1 (0.45) HRH1KMT2AJAK2JAK1TYK2
SCHEMBL25259362 0.81 ALDH1A1 (0.48) KMT2AMEN1PKMOPRM1ALDH1A1
SCHEMBL30464366 0.77 CCNK (0.36) HRH1KMT2AMEN1PKMOPRM1
SCHEMBL25258833 0.77 CCNK (0.36) HRH1KMT2AMEN1PKMOPRM1
SCHEMBL25679715 0.75 JAK2 (0.55) HRH1JAK2JAK1TYK2JAK3
SCHEMBL25679745 0.68 HRH1 (0.48) HRH1JAK2JAK1TYK2JAK3
SCHEMBL3566734 0.66 ALDH1A1 (0.54) KMT2AMEN1PKMALDH1A1CYP2D6
SCHEMBL14447529 0.65 RAB9A (0.44) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL31735444 0.65 MEN1 (0.46) KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL26758112 0.64 MEN1 (0.48) KMT2AMEN1ALDH1A1LMNAPOLB

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-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 — — WO disclosed
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