SCHEMBL26815219

SCHEMBL26815219

CC(C)c1cnc(N2CCC3(CC2)CC(C(C)C)C3)nc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GPR119 Q8TDV5 3/20 0.34
▸ PANK3 Q9H999 1/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CETP P11597 1/20 0.32
▸ OGA O60502 3/20 0.32
▸ ACHE P22303 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL24827889 0.81 CYP3A4 (0.36) CYP3A4CYP2D6TSHRMEN1KMT2A
SCHEMBL12771442 0.80 ACHE (0.45) GPR119PANK3ALDH1A1OGAACHE
SCHEMBL24827911 0.78 CYP3A4 (0.35) CYP3A4CYP2D6TSHRMEN1KMT2A
SCHEMBL26844919 0.75 ACACB (0.36) CYP3A4CYP2D6TSHRMEN1KMT2A
SCHEMBL26846118 0.75 OGA (0.39) CYP3A4CYP2D6TSHRMEN1KMT2A
SCHEMBL26845645 0.74 OPRM1 (0.43) CYP3A4CYP2D6TSHRMEN1KMT2A
SCHEMBL13466910 0.73 PANK3 (0.40) TSHRPANK3ALDH1A1OGAACACB
SCHEMBL19105574 0.73 PANK3 (0.40) PANK3HPGDOGAACACBSMN1; SMN2
SCHEMBL16131123 0.72 POLB (0.42) TSHRMEN1KMT2APANK3ALDH1A1
SCHEMBL23483105 0.71 ALDH1A1 (0.42) TSHRMEN1KMT2APANK3HSD17B10

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
WO-2023220134-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 — — WO disclosed
WO-2023220137-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 — — WO disclosed
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