SCHEMBL31536131

SCHEMBL31536131

CC(C)(O)C#Cc1cccc(C(=O)Nc2cc(Br)cnc2N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.42
▸ TEK Q02763 2/20 0.42
▸ PDGFRB P09619 7/20 0.42
▸ KDR P35968 7/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ CSF1R P07333 1/20 0.39
▸ MAP3K14 Q99558 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ BRAF P15056 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ ABL1 P00519 2/20 0.36
▸ BCR P11274 2/20 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
SCHEMBL31536171 0.84 KMT2A (0.42) LCKTEKKDRNPC1RAB9A
SCHEMBL31536128 0.79 KDR (0.42) LCKTEKPDGFRBKDRMEN1
SCHEMBL31536049 0.74 MAP4K1 (0.42) LCKTEKPDGFRBKDRCSF1R
SCHEMBL31536115 0.73 ATR (0.59) —
SCHEMBL27588670 0.73 HDAC1 (0.63) KDRNPC1RAB9AKMT2AMAPT
SCHEMBL31536359 0.72 MAP3K14 (0.37) KMT2AMAP3K14
SCHEMBL3121665 0.70 GRM5 (0.50) MAP3K14LMNA
SCHEMBL31536195 0.69 PRKCI (0.37) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL29030352 0.69 SMN1; SMN2 (0.55) KDRNPC1RAB9AMEN1KMT2A
SCHEMBL3929847 0.69 HAO1 (0.50) KMT2ALMNACYP2C9CYP1A2

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-119707930-A Aromatic ring compound and its prepn and use 甘李药业股份有限公司 2025-03-28 — — CN disclosed
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