SCHEMBL21856314

SCHEMBL21856314

CN1CCN(c2cc(N[C@H]3CCN(C=CC=O)C3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 1/20 0.39
▸ DDR2 Q16832 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ CSF1R P07333 4/20 0.37
▸ LYN P07948 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ IDH2 P48735 1/20 0.36
▸ CCR2 P41597 1/20 0.35
▸ MAP3K7 O43318 1/20 0.34
▸ MAP4K2 Q12851 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ DRD2 P14416 3/20 0.34
▸ DRD3 P35462 3/20 0.34
▸ BRAF P15056 1/20 0.34
▸ NR2E1 Q9Y466 1/20 0.34

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
SCHEMBL21856357 0.86 RHOC (0.40) CSF1RIDH2
SCHEMBL21856353 0.81 HTR2A (0.43) HRH4DRD3
SCHEMBL21856326 0.81 RHOC (0.42) CSF1R
SCHEMBL21856348 0.80 PABPC1 (0.40) ALDH1A1BRAF
SCHEMBL21856336 0.79 DDR1 (0.43) DDR1DDR2ABL1SRCCSF1R
SCHEMBL21958730 0.79 TEAD1 (0.50) DDR1DDR2
SCHEMBL21958731 0.79 TEAD1 (0.50) DDR1DDR2
SCHEMBL21856323 0.77 IDH2 (0.45) IDH2
SCHEMBL21856354 0.76 EGFR (0.39) IDH2BRAF
SCHEMBL30027986 0.75 STS (0.45) DDR1DDR2ALDH1A1

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
WO-2020081572-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 — — WO disclosed
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