SCHEMBL31658404

SCHEMBL31658404

C[C@@H]1CN(c2cc(Br)ccn2)CCN1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 1/20 0.48
▸ ACVR1 Q04771 1/20 0.46
▸ PRKCQ Q04759 3/20 0.45
▸ PRKCD Q05655 1/20 0.45
▸ KIT P10721 1/20 0.42
▸ ZAP70 P43403 3/20 0.40
▸ PRKD1 Q15139 2/20 0.40
▸ PRKD2 Q9BZL6 2/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ NCF1 P14598 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ ACACB O00763 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ CSNK1E P49674 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL2244070 0.84 NMT1 (0.49) NMT1ACVR1PRKCQPRKCDKIT
SCHEMBL14186225 0.84 NMT1 (0.49) NMT1ACVR1PRKCQPRKCDKIT
SCHEMBL8271848 0.84 NMT1 (0.49) NMT1ACVR1PRKCQPRKCDKIT
SCHEMBL23860614 0.83 NMT1 (0.46) NMT1ACACBHDAC1LMNA
SCHEMBL20905651 0.82 NMT1 (0.46) NMT1ACVR1PRKCQPRKCDKIT
SCHEMBL31045816 0.82 ACVR1 (0.48) NMT1ACVR1PRKCQPRKCDKIT
SCHEMBL2244335 0.79 ADRB1 (0.66) NMT1ACVR1PRKCQPRKCDNCF1
SCHEMBL1558641 0.78 ADRB1 (0.59) PRKD1PRKD2NCF1ADRB1ALDH1A1
SCHEMBL30351053 0.78 ADRB1 (0.59) PRKD1PRKD2NCF1ADRB1ALDH1A1
SCHEMBL31745447 0.77 PLD1 (0.60) ACVR1PRKCQPRKCDHDAC1CSNK1E

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
EP-4585599-A1 NITROGEN-CONTAINING FUSED RING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Hangzhou Synrx Therapeutics Biomedical Technology Co., Ltd. (CN) 2025-07-16 — — EP disclosed
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