SCHEMBL31045869

SCHEMBL31045869

C[C@H]1CN(c2cc(F)ncn2)CCN1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.43
ACVR1 Q04771 4/20 0.41
PRKCQ Q04759 3/20 0.40
PRKCD Q05655 1/20 0.40
NMT1 P30419 1/20 0.40
CSNK1E P49674 1/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
HDAC1 Q13547 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KHK P50053 1/20 0.36
HRH4 Q9H3N8 3/20 0.35
CYP1A2 P05177 1/20 0.35
HTR2C P28335 1/20 0.34

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
SCHEMBL17623223 0.83 KIT (0.43) KITACVR1PRKCQPRKCDNMT1
SCHEMBL23523531 0.82 KIT (0.43) KITACVR1PRKCQPRKCDNMT1
SCHEMBL20905784 0.82 KIT (0.43) KITACVR1PRKCQPRKCDNMT1
SCHEMBL20898677 0.82 KIT (0.43) KITACVR1PRKCQPRKCDNMT1
SCHEMBL26669800 0.79 CYP2C19 (0.55) KITACVR1PRKCQPRKCDNMT1
SCHEMBL31045816 0.78 ACVR1 (0.48) KITACVR1PRKCQPRKCDNMT1
SCHEMBL1775475 0.76 PRKD1 (0.48) KITACVR1PRKCQPRKCDALDH1A1
SCHEMBL4789831 0.76 PRKD1 (0.48) KITACVR1PRKCQPRKCDALDH1A1
SCHEMBL18486195 0.76 HRH4 (0.45) KITACVR1PRKCQPRKCDNMT1
SCHEMBL31046043 0.75 KHK (0.45) KITACVR1PRKCQPRKCDNMT1

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-4665331-A1 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2025-12-24 EP disclosed
WO-2024173219-A1 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-22 WO disclosed