SCHEMBL31099634

SCHEMBL31099634

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCN(Cc2cc(F)nc(N3CCC(=O)NC3=O)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.56
▸ NUDT14 O95848 1/20 0.56
▸ NUDT5 Q9UKK9 1/20 0.56
▸ LCK P06239 4/20 0.55
▸ LYN P07948 1/20 0.55
▸ CRBN Q96SW2 4/20 0.54
▸ EGFR P00533 3/20 0.52
▸ SRC P12931 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ TEK Q02763 1/20 0.51
▸ VHL P40337 1/20 0.51
▸ ITK Q08881 2/20 0.50

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
SCHEMBL31100258 0.90 BTK (0.58) BTKNUDT14NUDT5LCKLYN
SCHEMBL31101528 0.88 BTK (0.56) BTKNUDT14NUDT5LCKLYN
SCHEMBL31102178 0.88 BTK (0.56) BTKNUDT14NUDT5LCKLYN
SCHEMBL31101916 0.88 BTK (0.56) BTKNUDT14NUDT5LCKLYN
SCHEMBL31099887 0.88 BTK (0.57) BTKNUDT14NUDT5LCKLYN
SCHEMBL31102837 0.88 BTK (0.59) BTKNUDT14NUDT5LCKLYN
SCHEMBL31103474 0.88 BTK (0.57) BTKNUDT14NUDT5LCKLYN
SCHEMBL31100602 0.88 BTK (0.60) BTKNUDT14NUDT5LCKLYN
SCHEMBL31099719 0.87 BTK (0.60) BTKNUDT14NUDT5LCKLYN
SCHEMBL31101910 0.87 BTK (0.56) BTKNUDT14NUDT5LCKLYN

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-4678638-A1 NEW E3 UBIQUITIN LIGASE LIGAND, PROTEIN DEGRADATION AGENT AND USE THEREOF Gluetacs Therapeutics (Shanghai) Co., Ltd. (CN) 2026-01-14 — — EP claimed
WO-2024188209-A1 NEW E3 UBIQUITIN LIGASE LIGAND, PROTEIN DEGRADATION AGENT AND USE THEREOF 标新生物医药科技(上海)有限公司 2024-09-19 — — WO claimed
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