SCHEMBL30485458

SCHEMBL30485458

BrCCNc1ncnc2[nH]ccc12

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 9/20 0.62
TTBK2 Q6IQ55 9/20 0.62
BTK Q06187 4/20 0.51
HDAC6 Q9UBN7 1/20 0.50
HPGDS O60760 1/20 0.50
EGFR P00533 2/20 0.49
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
INCENP Q9NQS7 1/20 0.49

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
SCHEMBL23409027 0.86 TTBK1 (0.62) TTBK1TTBK2BTKHDAC6HPGDS
SCHEMBL16266363 0.85 TTBK1 (0.61) TTBK1TTBK2BTKHDAC6
SCHEMBL23409028 0.83 TTBK1 (0.59) TTBK1TTBK2BTKHDAC6HPGDS
SCHEMBL8469366 0.81 S1PR2 (0.57) TTBK1TTBK2BTKHDAC6
SCHEMBL16266488 0.81 LDHA (0.58) TTBK1TTBK2BTKHDAC6
SCHEMBL24920137 0.81 TTBK1 (0.57) TTBK1TTBK2BTKHDAC6HPGDS
SCHEMBL23409023 0.81 GAA (0.57) TTBK1TTBK2BTKHDAC6HPGDS
SCHEMBL4741877 0.81 TTBK1 (0.76) TTBK1TTBK2BTKHDAC6EGFR
SCHEMBL11828413 0.80 S1PR2 (0.59) TTBK1TTBK2BTKHDAC6HPGDS
SCHEMBL25069022 0.80 TTBK1 (0.56) TTBK1TTBK2BTKHDAC6HPGDS

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-111606929-B Preparation method of Degatinib 中瀚(齐河县)生物医药科技有限公司 2023-07-07 CN disclosed